Computational Chemistry (statistical) PhD Projects, Programmes & Scholarships

We have 7 Computational Chemistry (statistical) PhD Projects, Programmes & Scholarships

Understanding Nonlinear Dynamics of Associative Polymers for Healthcare and Sustainable Applications: Computer Simulations and Mathematical Modelling

University of Reading Department of Mathematics and Statistics

Introduction. Associative polymers are macromolecules containing associative groups, also called stickers, that undergo reversible association to physically cross link the polymers into transient networks. Read more

Supervisors: Dr Z Wang, Dr A Lukyanov

Year round applications PhD Research Project Self-Funded PhD Students Only

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Direct numerical simulation of polymeric-fluid flows

University of Strathclyde Department of Chemical and Process Engineering

Polymers and turbulence are two of the most difficult problems in statistical physics. In the past, the study of polymeric liquids was divided in two categories. Read more

Supervisors: Dr D Kivotides, Dr P Grassia

Year round applications PhD Research Project Self-Funded PhD Students Only

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Programming Colloidal Self-Assembly for Advanced Materials

University of Birmingham School of Chemistry

A PhD place is available with Dr Dwaipayan Chakrabarti in the School of Chemistry at the University of Birmingham on a project themed on designing and developing colloidal advanced materials, using high-performance computing, underpinned by theories of statistical mechanics and wave propagation in periodic structures. Read more

Supervisor: Dr D Chakrabarti

Year round applications PhD Research Project Competition Funded PhD Project (Students Worldwide)

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Using Natural Language Processing and molecular simulations to build polymer databases

The University of Manchester Department of Chemistry

A fully funded PhD position in multiscale modelling of polymer composites is available in the group of Professor Carbone at the University of Manchester from October 2024. Read more

Supervisor: Dr P Carbone

Year round applications PhD Research Project Funded PhD Project (UK Students Only)

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Accelerated Inorganic Materials Discovery Driven by Magnetic Resonance

University of Liverpool Department of Chemistry

This studentship will explore experimental and computational Nuclear Magnetic Resonance (NMR) spectroscopy approaches to probe the fast oxide ion transport (e.g., self-diffusion coefficients, diffusion pathways, dimensionality of motion) of oxide in inorganic materials aimed at establishing design rules for the discovery of next generation fast conductors. Read more

Supervisors: Prof F Blanc, Dr M Dyer

30 April 2024 PhD Research Project Funded PhD Project (Students Worldwide)

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Theory and simulation of the ferro-electric nematic phase

The University of Manchester Department of Chemical Engineering

Liquid crystals turn up everywhere. They are the main constituent of displays, they are used in television screens and many health care products are liquid crystalline. Read more

Supervisor: Prof A Masters

Year round applications PhD Research Project Competition Funded PhD Project (Students Worldwide)

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Mathematical Machine Learning for Molecular Modeling

University of Birmingham School of Mathematics

Project description. This PhD project aims to develop Machine Learning methods for Molecular Modeling with a particular focus on aspects relevant to dynamics preserving coarse-graining strategies. Read more

Supervisor: Dr M Sachs

Year round applications PhD Research Project Competition Funded PhD Project (Students Worldwide)

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We have 7 Computational Chemistry (statistical) PhD Projects, Programmes & Scholarships

Computational Chemistry (statistical) PhD Projects, Programmes & Scholarships

We have 7 Computational Chemistry (statistical) PhD Projects, Programmes & Scholarships

Understanding Nonlinear Dynamics of Associative Polymers for Healthcare and Sustainable Applications: Computer Simulations and Mathematical Modelling

Direct numerical simulation of polymeric-fluid flows

Programming Colloidal Self-Assembly for Advanced Materials

Using Natural Language Processing and molecular simulations to build polymer databases

Accelerated Inorganic Materials Discovery Driven by Magnetic Resonance

Theory and simulation of the ferro-electric nematic phase

Mathematical Machine Learning for Molecular Modeling

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